Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTMIKNGDSIAVVNGDIELSYKDIDRQSNSFANGLLKAGFKCGDKIVLQLPNYHEFIIIAFAMFKVGIIPIMSLPAHRKNELKGIIEKSEAVAYIAKDKYLGFSYVDMIRDIKIESDREFKVYILGEGDEFKKFSELNDNNYIYQKTEVDYKNIGLLLLSGGTTRIPKLIPRRHCDYLYVAKKTSIISGMDRGSIYLAALPMAHNFPLCCPGILGTFAVGGKVVVCEVTSPDEILPLIEEEKVTITGFVPAIANICMDYL--QYEDYDLSSLKIL
3RG2 Chain:E ((32-307))
ILTRHAASDSIAVIDGERQLSYRELNQAADNLACSLRRQGIKPGETALVQLGNVAELYITFFALLKLGVAPVLALFSHQRSELNAYASQIEPALLIADRQHALFSGDDFLNTFVTEHSSIRVVQLLNDSGEHNLQDAINHPAEDFTATPSPADEVAYFQLS--TTGTPKLIPRTHNDYYYSVRRSVEICQFTQQTRYLCAIPAAHNYAMSSPGSLGVFLAGGTVVLAADPSATLCFPLIEKHQVNVTALVPPAVSLWLQALIEGESRAQLASLKLL
General information:
TITO was launched using:
RESULT:
Template:
3RG2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -197769 for 2249 contacts (-87.9/contact) +
2D Compatibility (PS) -29264 + (NN) -4674 + (LL) -344
1D Compatibility (HY) -14400 + (ID) 4400
Total energy: -250851.0 ( -111.54 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_3RG2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RG2-query.scw
PDB file :
Tito_Scwrl_3RG2.pdb
: